(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol

C14H20O3 — CID 102506290

IUPAC(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
SMILESCc1cc(C)c([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C
InChIInChI=1S/C14H20O3/c1-8-4-10(3)11(5-9(8)2)13-6-12(16)14(7-15)17-13/h4-5,12-16H,6-7H2,1-3H3/t12-,13-,14+/m0/s1
InChIKeyCXXDMKLMHJBPBQ-MELADBBJSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds2

About (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol

(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol (PubChem CID 102506290) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
PubChem CID102506290
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
SMILESCc1cc(C)c([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C
InChIInChI=1S/C14H20O3/c1-8-4-10(3)11(5-9(8)2)13-6-12(16)14(7-15)17-13/h4-5,12-16H,6-7H2,1-3H3/t12-,13-,14+/m0/s1
InChIKeyCXXDMKLMHJBPBQ-MELADBBJSA-N
XLogP1.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
(2R,3S,5S)-5-(5-bromo-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
CID 502251
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
4-[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(4-ethylphenyl)methyl]-5-methylbenzonitrile
CID 166735989
5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 21121800
(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
CID 24773387
(2R,3S)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-ol
CID 87769450
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
CID 6479208
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol (CID 102506290) is (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol is Cc1cc(C)c([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C.
What is the InChIKey of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol?
The InChIKey is CXXDMKLMHJBPBQ-MELADBBJSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-4-10(3)11(5-9(8)2)13-6-12(16)14(7-15)17-13/h4-5,12-16H,6-7H2,1-3H3/t12-,13-,14+/m0/s1.
What are the key properties of (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol?
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol has a molecular weight of 236.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol is sourced from PubChem (CID 102506290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).